(4-hydroxyphenyl)boronamidic acid

C6H8BNO2 — CID 142236659

IUPAC(4-hydroxyphenyl)boronamidic acid
SMILESNB(O)c1ccc(O)cc1
InChIInChI=1S/C6H8BNO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9-10H,8H2
InChIKeyMMTFEHZERKTBKO-UHFFFAOYSA-N
MW136.95 g/mol
LogP-0.96
Rot. Bonds1

About (4-hydroxyphenyl)boronamidic acid

(4-hydroxyphenyl)boronamidic acid (PubChem CID 142236659) has the molecular formula C6H8BNO2 and a molecular weight of 136.95 g/mol. Its IUPAC name is (4-hydroxyphenyl)boronamidic acid.

Molecular Properties

Compound Name(4-hydroxyphenyl)boronamidic acid
PubChem CID142236659
Molecular FormulaC6H8BNO2
Molecular Weight136.95 g/mol
Exact Mass137.06
IUPAC Name(4-hydroxyphenyl)boronamidic acid
SMILESNB(O)c1ccc(O)cc1
InChIInChI=1S/C6H8BNO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9-10H,8H2
InChIKeyMMTFEHZERKTBKO-UHFFFAOYSA-N
XLogP-0.96
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.95
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)boronamidic acid?
The IUPAC name of (4-hydroxyphenyl)boronamidic acid (CID 142236659) is (4-hydroxyphenyl)boronamidic acid.
What is the SMILES notation for (4-hydroxyphenyl)boronamidic acid?
The canonical SMILES for (4-hydroxyphenyl)boronamidic acid is NB(O)c1ccc(O)cc1.
What is the InChIKey of (4-hydroxyphenyl)boronamidic acid?
The InChIKey is MMTFEHZERKTBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8BNO2/c8-7(10)5-1-3-6(9)4-2-5/h1-4,9-10H,8H2.
What are the key properties of (4-hydroxyphenyl)boronamidic acid?
(4-hydroxyphenyl)boronamidic acid has a molecular weight of 136.95 g/mol, XLogP of -0.96, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)boronamidic acid is sourced from PubChem (CID 142236659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).